![#3;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-OCTADECASPHINGENINE](/api/spectrum/LcfMUajx6c9/structure.png?h=300&w=458 "#3;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-OCTADECASPHINGENINE")
| SpectraBase Compound ID | HYwCdWratLj |
|---|---|
| InChI | InChI=1S/C57H111N2O16P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-49(61)58-45(46(60)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)42-70-56-54(66)52(64)50(62)47(74-56)43-71-57-55(67)53(65)51(63)48(75-57)44-73-76(68,69)72-41-40-59(3,4)5/h36,38,45-48,50-57,60,62-67H,6-35,37,39-44H2,1-5H3,(H-,58,61,68,69)/b38-36+/t45-,46+,47+,48-,50-,51+,52-,53+,54+,55-,56+,57-/m1/s1 |
| InChIKey | CJYKMECPVDGSFI-CPCDOYKFSA-N |
| Mol Weight | 1111.5 g/mol |
| Molecular Formula | C57H111N2O16P |
| Exact Mass | 1110.767122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcfMUajx6c9 |
|---|---|
| Name | #3;N-DOCOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-OCTADECASPHINGENINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H111N2O16P |
| InChI | InChI=1S/C57H111N2O16P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-49(61)58-45(46(60)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)42-70-56-54(66)52(64)50(62)47(74-56)43-71-57-55(67)53(65)51(63)48(75-57)44-73-76(68,69)72-41-40-59(3,4)5/h36,38,45-48,50-57,60,62-67H,6-35,37,39-44H2,1-5H3,(H-,58,61,68,69)/b38-36+/t45-,46+,47+,48-,50-,51+,52-,53+,54+,55-,56+,57-/m1/s1 |
| InChIKey | CJYKMECPVDGSFI-CPCDOYKFSA-N |
| Literature Reference Author | R.TANAKA,K.MIYAHARA,N.NODA |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,1152(1996) |
| Literature Reference DOI | 10.1248/cpb.44.1152 |
| Molecular Weight | 1111.486 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWLU31323 |